SCHEMBL2804206

SCHEMBL2804206

Cc1ccc(Cl)c(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
PAK1 Q13153 6/20 0.44
TRPV1 Q8NER1 6/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2804401 0.86 PAK1 (0.59) RAB9APAK1TRPV1NPC1POLB
SCHEMBL2805561 0.83 KDR (0.51) RAB9APAK1TRPV1NPC1TAS1R3
SCHEMBL2804570 0.81 PAK1 (0.49) RAB9APAK1TRPV1NPC1POLB
SCHEMBL2802586 0.81 FLT3 (0.47) PAK1TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL2803935 0.81 NPC1 (0.58) RAB9APAK1TRPV1NPC1TAS1R3
SCHEMBL12342043 0.80 MEN1 (0.55) PAK1TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL2803705 0.79 MAPT (0.51) PAK1TRPV1MAPT
SCHEMBL2806213 0.79 FGFR2 (0.49) PAK1TRPV1MAPTSMN1; SMN2
SCHEMBL2805002 0.79 PAK1 (0.60) RAB9APAK1NPC1MAPTALDH1A1
SCHEMBL2805021 0.78 PAK1 (0.43) RAB9APAK1TRPV1NPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 RAB9A 1240/4885PAK1 717/4885TRPV1 1732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.